Studies of the Neutral Products of Pentane Degradation in the Corona Discharge in Air

ABSTRACT Plasma‐chemical processes triggered by corona discharge in pentane–air mixtures at atmospheric pressure were investigated using Ion Mobility Spectrometry (IMS) and IMS coupled with mass spectrometry (IMS‐MS). A direct current (DC) Corona Discharge Reactor (CDR) was employed to treat the mixtures under varying conditions, including discharge current, polarity, gas composition (air, N₂, O₂), pentane concentration, and humidity. Neutral products were detected and characterized via IMS and IMS‐MS. CDR treatment of pentane yields three primary products: 5‐hydroxy‐2‐pentanone, 3‐pentanone, and 2‐pentanone. Potential reaction pathways were proposed, and the free energies of the products were calculated using MP2 and density functional theory (DFT) methods to identify thermodynamically favored species and elucidate their molecular structures.